Results for:
PubChem ID: 8186

Undecanal

Mass-Spectra

Compound Details

Synonymous names	UNDECANAL 112-44-7 Undecyl aldehyde Undecanaldehyde Undecylic aldehyde n-Undecanal 1-Undecanal Undecylaldehyde Hendecanal Hendecanaldehyde n-Undecyl aldehyde Aldehyde C-11 C11 aldehyde C-11 aldehyde, undecylic Aldehyde C-11, undecylic FEMA No. 3092 NSC 22578 MFCD00007016 B6P0A9PSHN DTXSID4021688 CHEBI:46202 NSC-22578 Undecanone, alpha- Undecanal (natural) EINECS 203-972-6 UNII-B6P0A9PSHN BRN 1753213 AI3-05098 N-Indecyl aldehyde Undecanal, 97% 1gt4 UNDECANAL [FCC] UNDECANAL [FHFI] EC 203-972-6 SCHEMBL22333 Undecanal, FCC, >=96% WLN: VH10 Undecanal, analytical standard UNDECANONE, .ALPHA.- DTXCID901688 CHEMBL1236576 FEMA 3092 1e02 NSC22578 Tox21_200538 LMFA06000064 AKOS009158017 CS-W004300 DB04093 MCULE-2842613213 NCGC00248685-01 NCGC00258092-01 CAS-112-44-7 SY048699 NS00003761 U0009 UNDECANAL (ALDEHYDE C-11 UNDECYLIC) H10685 EN300-1721289 A894583 J-002779 Q7883008 Z993017862
Microorganism:	Yes
IUPAC name	undecanal
SMILES	CCCCCCCCCCC=O
Inchi	InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
Formula	C11H22O
PubChem ID	8186
Molweight	170.29
LogP	4.3
Atoms	12
Bonds	9
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	aldehydes
CHEBI-ID	46202
Supernatural-ID	SN0189699

mVOC Specific Details

Boiling Point	Degree Reference 109 median
MS-Links	MS-MS Spectrum 6947 MS-MS Spectrum 6949 MS-MS Spectrum 13620 MS-MS Spectrum 6948 MS-MS Spectrum 13621 MS-MS Spectrum 13619
1D-NMR-Links	1D NMR Spectrum 3800 1D NMR Spectrum 4065
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008689 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008769

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Escherichia Coli NA NA Dixon et al. 2022 Prokaryota Pseudomonas Aeruginosa NA Timm et al. 2018 Prokaryota Erwinia Amylovora enhances Arabidopsis thaliana shoot and root growth bacterial collection of the Lab Parmagnani et al. 2023 Prokaryota Streptococcus Mutans as a biomarker for a breath test for detection of caries NA Hertel et al. 2016 Prokaryota Loktanella Sp. n/a NA Dickschat et al. 2005_4 Prokaryota Dinoroseobacter Shibae n/a NA Dickschat et al. 2005_4 Prokaryota Burkholderia Cepacia n/a NA Blom et al. 2011 Prokaryota Burkholderia Gladioli n/a NA Blom et al. 2011 Prokaryota Burkholderia Lata n/a NA Blom et al. 2011 Prokaryota Burkholderia Phenoliruptrix n/a NA Blom et al. 2011 Prokaryota Burkholderia Pyrrocinia n/a NA Blom et al. 2011 Prokaryota Serratia Plymuthica n/a NA Blom et al. 2011 Prokaryota Serratia Proteamaculans n/a NA Blom et al. 2011 Eukaryota Ganoderma Lucidum na saprophytic on deciduous trees Campos Ziegenbein et al. 2006 Prokaryota Burkholderia Cepacia Rhizosphere Blom et al. 2011 Prokaryota Achromobacter Sp. NA NA Almeida et al. 2022 Pediococcus Acidilactici Mockus et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Escherichia Coli LB TD/GC-MS no Prokaryota Pseudomonas Aeruginosa MOPS glucose SPME, GC-MS yes Prokaryota Pseudomonas Aeruginosa MOPS glucose+EZ SPME, GC-MS yes Prokaryota Pseudomonas Aeruginosa TSA SPME, GC-MS yes Prokaryota Erwinia Amylovora SBSE/GC-MS no Prokaryota Streptococcus Mutans Brain-Heart-Infusion agar Tenax-trap/GC-MS no Prokaryota Loktanella Sp. n/a n/a no Prokaryota Dinoroseobacter Shibae n/a n/a no Prokaryota Burkholderia Cepacia MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Gladioli LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Lata MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Lata MR-VP and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Phenoliruptrix Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Pyrrocinia LB and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Plymuthica MR-VP and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Proteamaculans MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Eukaryota Ganoderma Lucidum na GC/MS no Prokaryota Burkholderia Cepacia MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) yes Prokaryota Achromobacter Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Pediococcus Acidilactici lentils (Lens culinaris) SPME/ICP-MS no